Molecule ID: mol10250

SMILES: CCOC(=O)C(C)SCC(=O)O

InChI: InChI=1S/C7H12O4S/c1-3-11-7(10)5(2)12-4-6(8)9/h5H,3-4H2,1-2H3,(H,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.77 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization